Abstract
In the dinuclear centrosymmetric title compound, [Cd2(C8H7O2)4(C6H6N2O) 2(H2O)2], the CdII ion is chelated by two carboxylate groups from 4-methylbenzoate anions, and is further coordinated by one nicotinamide and one water molecule; a carboxylate O atom from an adjacent 4-methylbenzoate anion bridges to the CdII ion, completing the irregular coordination sphere of the seven ligand atoms. In the crystal, intermolecular O-H⋯O, N-H⋯O and weak C-H⋯O hydrogen bonds link the molecules into a three-dimensional network. The methylbenzene moiety of one bridging 4-methylbenzoate anion is disordered over two orientations of equal occupancy.
| Original language | English |
|---|---|
| Pages (from-to) | m1510-m1511 |
| Journal | Acta Crystallographica Section E: Structure Reports Online |
| Volume | 68 |
| Issue number | 12 |
| DOIs | |
| Publication status | Published - Dec 2012 |
Keywords
- R factor = 0.019
- T = 100 K
- data-to-parameter ratio = 16.3
- disorder in main residue
- mean ω(C-C) = 0.003 Å
- single-crystal X-ray study
- wR factor = 0.048
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